2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]acetate Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H17N3O2S/c1-19-7-6-9(14)13-15-10-4-2-3-5-11(10)16(13)8-12(17)18/h2-5,9H,6-8,14H2,1H3,(H,17,18)/t9-/m0/s1